| Year |
Citation |
Score |
| 2024 |
Mendizabal F, Ceron ML, Lara D, Miranda-Rojas S. Closed-shell d-d mechanochromic [AuPh(CNPh)] complex: quantum chemistry electronic and optical properties. Rsc Advances. 14: 5638-5647. PMID 38352689 DOI: 10.1039/d3ra08935e |
0.338 |
|
| 2023 |
Lara D, Santibañez D, Miranda-Rojas S, Mendizabal F. Is there a Covalent Au(I)-Au(I) Bond in the trans-(AuX) (X = F, Cl, Br, I) Structure? A Post-Hartree-Fock and Density Functional Theory Study. Inorganic Chemistry. PMID 37690083 DOI: 10.1021/acs.inorgchem.3c01547 |
0.324 |
|
| 2022 |
Mendizabal F, Miranda-Rojas S. Closed-shell d-d in [AuCl(CNR)] and [AuCl(CO)] ( = 1, 2; R = -H, -CH, -Cy) complexes: quantum chemistry study of their electronic and optical properties. Rsc Advances. 12: 7516-7528. PMID 35424682 DOI: 10.1039/d1ra07269b |
0.335 |
|
| 2020 |
Miranda-Rojas S, Mendizabal F. Exploration of the Interaction Strength at the Interface of Anionic Chalcogen Anchors and Gold (111)-Based Nanomaterials. Nanomaterials (Basel, Switzerland). 10. PMID 32630576 DOI: 10.3390/Nano10061237 |
0.401 |
|
| 2020 |
Mendizabal F, Miranda-Rojas S, Castro-Latorre P. Quantum chemistry simulation of the electronic properties in [Au(NH3)2]NO3 and [Au(NCH)2][AuCl4] extended unsupported complexes Molecular Simulation. 46: 521-529. DOI: 10.1080/08927022.2020.1735634 |
0.386 |
|
| 2020 |
Mendizabal F, Miranda-Rojas S. Electronic and optical properties of [Au(CH3CSS)]4 cluster. A quantum chemistry study Rsc Advances. 10: 33549-33557. DOI: 10.1039/D0Ra06982E |
0.313 |
|
| 2017 |
Mendizabal F, Mera-Adasme R, Xu W, Sundholm D. Electronic and optical properties of metalloporphyrins of zinc on TiO2 cluster in dye-sensitized solar-cells (DSSC). A quantum chemistry study Rsc Advances. 7: 42677-42684. DOI: 10.1039/C7Ra08648B |
0.406 |
|
| 2017 |
Santander-Nelli M, Silva CP, Espinoza-Vergara J, Silva JF, Olguín CF, Cortés-Arriagada D, Zagal JH, Mendizabal F, Díez-Pérez I, Pavez J. Tailoring electroactive surfaces by non-template molecular assembly. Towards electrooxidation of L-cysteine Electrochimica Acta. 254: 201-213. DOI: 10.1016/J.Electacta.2017.09.082 |
0.306 |
|
| 2017 |
Orellana C, Mendizábal F, González G, Miranda-Rojas S, Barrientos L. Palmitic acid and hexadecylamine molecules assdsorbed on titania surface in hybrid composites. Effect of surfactants using density functional theory Computational and Theoretical Chemistry. 1110: 50-59. DOI: 10.1016/J.Comptc.2017.04.006 |
0.345 |
|
| 2017 |
Paredes-Gil K, Mendizabal F, Páez-Hernández D, Arratia-Pérez R. Electronic structure and optical properties calculation of Zn-porphyrin with N-annulated perylene adsorbed on TiO2 model for dye-sensitized solar cell applications: A DFT/TD-DFT study Computational Materials Science. 126: 514-527. DOI: 10.1016/J.Commatsci.2016.09.042 |
0.368 |
|
| 2016 |
Miranda-Rojas S, Sierra-Rosales P, Muñoz-Castro A, Arratia-Pérez R, Zagal JH, Mendizábal F. Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role. Physical Chemistry Chemical Physics : Pccp. PMID 27747348 DOI: 10.1039/C6Cp06156G |
0.422 |
|
| 2016 |
Mera-Adasme R, Xu WH, Sundholm D, Mendizabal F. Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells. Physical Chemistry Chemical Physics : Pccp. PMID 27711639 DOI: 10.1039/C6Cp04627D |
0.391 |
|
| 2016 |
Inostroza N, Mendizabal F, Arratia-Pérez R, Orellana C, Linares-Flores C. Improvement of photovoltaic performance by substituent effect of donor and acceptor structure of TPA-based dye-sensitized solar cells. Journal of Molecular Modeling. 22: 25. PMID 26744295 DOI: 10.1007/S00894-015-2893-9 |
0.369 |
|
| 2016 |
Muñoz-Castro A, Gomez T, Carey DM, Miranda-Rojas S, Mendizabal F, Zagal JH, Arratia-Perez R. Surface on Surface. Survey of the Monolayer Gold–Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations The Journal of Physical Chemistry C. 120: 7358-7364. DOI: 10.1021/Acs.Jpcc.5B12580 |
0.333 |
|
| 2015 |
Mendizabal F, Miranda-Rojas S, Barrientos L. Theoretical study on interactions of fluorinated organomercurials with arene and gold fragments. Physical Chemistry Chemical Physics : Pccp. 17: 26417-28. PMID 26387588 DOI: 10.1039/C5Cp04503G |
0.37 |
|
| 2015 |
Mendizabal F, Lopéz A, Arratia-Pérez R, Inostroza N, Linares-Flores C. Interaction of YD2 and TiO2 in dye-sensitized solar cells (DSSCs): a density functional theory study. Journal of Molecular Modeling. 21: 2771. PMID 26267296 DOI: 10.1007/S00894-015-2771-5 |
0.403 |
|
| 2015 |
Linares-Flores C, Mendizabal F, Arratia-Pérez R, Inostroza N, Orellana C. Substituents role in zinc phthalocyanine derivatives used as dye-sensitized solar cells. A theoretical study using Density Functional Theory Chemical Physics Letters. 639: 172-177. DOI: 10.1016/J.Cplett.2015.09.025 |
0.395 |
|
| 2015 |
Mendizabal F, Lopéz A, Arratia-Pérez R, Zapata-Torres G. Interaction of LD14 and TiO2 in dye-sensitized solar-cells (DSSC): A density functional theory study Computational and Theoretical Chemistry. 1070: 117-125. DOI: 10.1016/J.Comptc.2015.08.005 |
0.397 |
|
| 2015 |
Mendizabal F, Miranda-Rojas S, Barrientos-Poblete L. A comparative study between post-Hartree-Fock methods and density functional theory in closed-shell aurophilic attraction Computational and Theoretical Chemistry. 1057: 74-79. DOI: 10.1016/J.Comptc.2015.01.021 |
0.397 |
|
| 2013 |
Miranda-Rojas S, Muñoz-Castro A, Arratia-Pérez R, Mendizábal F. Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111). Physical Chemistry Chemical Physics : Pccp. 15: 20363-70. PMID 24173319 DOI: 10.1039/C3Cp53591F |
0.42 |
|
| 2013 |
Mendizabal F, Salazar R. Theoretical study on electronic spectra and interaction in [Au3]-L-[Au 3] (L = C6F6,Ag+) complexes. Journal of Molecular Modeling. 19: 1973-9. PMID 22940876 DOI: 10.1007/S00894-012-1570-5 |
0.4 |
|
| 2013 |
Mendizabal F, Donoso D, Salazar R. Theoretical study of complexes of the type [Pt3(M-L) 3(L')3]-X (L=CO, SO2,CNH; L'=PH 3,CNH; X=Tl+, Hg0, MPH3 + (M = Cu, Au, Ag)) Journal of the Chilean Chemical Society. 58: 1562-1570. DOI: 10.4067/S0717-97072013000100014 |
0.345 |
|
| 2012 |
Ponce I, Silva JF, Oñate R, Rezende MC, Paez MA, Zagal JH, Pavez J, Mendizabal F, Miranda-Rojas S, Muñoz-Castro A, Arratia-Pérez R. Enhancement of the catalytic activity of fe phthalocyanine for the reduction of O 2 anchored to Au(111) via conjugated self-assembled monolayers of aromatic thiols as compared to Cu phthalocyanine Journal of Physical Chemistry C. 116: 15329-15341. DOI: 10.1021/Jp301093Q |
0.306 |
|
| 2011 |
Mera-Adasme R, Mendizábal F, Olea-Azar C, Miranda-Rojas S, Fuentealba P. A computationally efficient and reliable bond order measure. The Journal of Physical Chemistry. A. 115: 4397-405. PMID 21469689 DOI: 10.1021/Jp107498H |
0.314 |
|
| 2011 |
Ponce I, Silva JF, Oñate R, Miranda-Rojas S, Muñoz-Castro A, Arratia-Pérez R, Mendizabal F, Zagal JH. Theoretical and experimental study of bonding and optical properties of self-assembly metallophthalocyanines complexes on a gold surface. A survey of the substrate-surface interaction Journal of Physical Chemistry C. 115: 23512-23518. DOI: 10.1021/Jp208734F |
0.327 |
|
| 2011 |
Mendizabal F, Donoso D, Burgos D. Theoretical study of the protonation of [Pt3(μ-L) 3(L′)3] (L = CO, SO2, CNH; L′ = PH3, CNH) Chemical Physics Letters. 514: 374-378. DOI: 10.1016/J.Cplett.2011.08.068 |
0.358 |
|
| 2011 |
Rodríguez-Castillo M, Monge M, López-de-Luzuriaga JM, Olmos ME, Laguna A, Mendizabal F. Theoretical study of the closed-shell d10-d10 Au(I)-Cu(I) attraction in complexes in extended unsupported chains Computational and Theoretical Chemistry. 965: 163-167. DOI: 10.1016/J.Comptc.2011.01.040 |
0.353 |
|
| 2011 |
López-de-Luzuriaga JM, Monge M, Olmos ME, Rodríguez-Castillo M, Laguna A, Mendizabal F. Basicity of bisperhalophenyl aurates toward closed-shell metal ions: Metallophilicity and additional interactions Theoretical Chemistry Accounts. 129: 593-602. DOI: 10.1007/S00214-011-0902-3 |
0.365 |
|
| 2011 |
Donoso D, Mendizabal F. Theoretical study of the interaction between Pt(0) and MPH3 + fragments in complexes of the [Pt3 (μ-CO)3(PH3)3]-MPH3 + (M = Cu+, Au+, Ag+) type Theoretical Chemistry Accounts. 129: 381-387. DOI: 10.1007/S00214-010-0856-X |
0.421 |
|
| 2010 |
Donoso D, Mendizabal F. Theoretical study of the s2-p interaction between tl(i) and olefinic systems on hypothetical [tl(c2h4) 2]+ and [tl(c2h2)n] + (n= 2,3) complexes Journal of the Chilean Chemical Society. 55: 503-505. DOI: 10.4067/S0717-97072010000400020 |
0.383 |
|
| 2010 |
Rodriguez-Becerra J, Olea-Azar C, Zapata-Torres G, Mendizabal F, Gonzáles M, Cerecetto H. Theoretical EPR study of nitroindazoles: 3-alkoxy, 3-hydroxy and 3-oxo derivatives Journal of the Brazilian Chemical Society. 21: 1937-1944. DOI: 10.1590/S0103-50532010001000020 |
0.418 |
|
| 2010 |
Mendizabal F. Theoretical study of the interaction between Au(I) and I on the [AuI2]--I2 complexes Journal of Molecular Structure: Theochem. 955: 71-74. DOI: 10.1016/J.Theochem.2010.05.033 |
0.429 |
|
| 2010 |
Mendizabal F. Theoretical study of {au3(ch3nacoch3) 3}n.{2,4,7-trinitro-9-?uorenone} (n = 1,2) complexes International Journal of Quantum Chemistry. 110: 1279-1286. DOI: 10.1002/Qua.22167 |
0.447 |
|
| 2009 |
Mera R, Mendizabal F. Theoretical study of the d10-s2 interaction between Au(I) and Tl(I) in the [AuCl(PH3)2]Tl+ hypothetical complex Chemical Physics Letters. 479: 156-159. DOI: 10.1016/J.Cplett.2009.07.099 |
0.406 |
|
| 2009 |
Mendizabal F, Burgos D, Olea-Azar C. Theoretical study of electronic spectra of [Pt3(μ-CO) 3(CO)3]n -2 (n = 3-5) complexes International Journal of Quantum Chemistry. 109: 477-482. DOI: 10.1002/Qua.21833 |
0.403 |
|
| 2008 |
Fernández EJ, Laguna A, López-de-Luzuriaga JM, Monge M, Mendizabal F. Theoretical study of the aggregation of d10-s2 Au(I)-Tl(I) complexes in extended unsupported chains Journal of Molecular Structure: Theochem. 851: 121-126. DOI: 10.1016/J.Theochem.2007.11.004 |
0.368 |
|
| 2008 |
Mendizabal F, Burgos D, Olea-Azar C. Theoretical study of [Hg3(o-C6F4)3]n · {benzene} (n = 1, 2) complexes Chemical Physics Letters. 463: 272-277. DOI: 10.1016/J.Cplett.2008.08.058 |
0.361 |
|
| 2007 |
Mendizabal F, Donoso D, Olea-Azar C, Mera R. Theoretical study of the interaction d10-s2 between Pt(0) and metals on the [Pt(PH3)3M] complexes (M = Hg(0), Au(-I)) Journal of Molecular Structure: Theochem. 803: 39-44. DOI: 10.1016/J.Theochem.2006.09.023 |
0.367 |
|
| 2007 |
Mendizabal F, Aguilera B, Olea-Azar C. Theoretical study on electronic spectra and aurophilic attraction in [Au3 (MeN {double bond, long} COMe)3]n (n = 1 s(-) 4) complexes Chemical Physics Letters. 447: 345-351. DOI: 10.1016/J.Cplett.2007.09.016 |
0.422 |
|
| 2007 |
Mendizabal F. Theoretical study of the electronic spectra of Bi- and Tri-heteronuclear platinum complexes International Journal of Quantum Chemistry. 108: 1164-1172. DOI: 10.1002/Qua.21598 |
0.379 |
|
| 2007 |
Mendizábal F, Olea-Azar C, Miranda S. Theoretical study of the interaction d10-d8 between Pt(0) and M(I) on the [Pt(PH3)3MPH3] complexes (M = Cu, Ag, Au) International Journal of Quantum Chemistry. 107: 1454-1458. DOI: 10.1002/Qua.21294 |
0.411 |
|
| 2007 |
Mendizabal F, Olea-Azar C. Theoretical study in [C2H4-Tl]+ and [C2H2-Tl]+ complexes International Journal of Quantum Chemistry. 107: 232-239. DOI: 10.1002/Qua.21033 |
0.442 |
|
| 2006 |
David J, Mendizábal F, Arratia-Pérez R. Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)7]3- and [Re(CN)7]4- complexes. The Journal of Physical Chemistry. A. 110: 1072-7. PMID 16420010 DOI: 10.1021/Jp055884T |
0.403 |
|
| 2006 |
Rigol C, Olea-Azar C, Mendizábal F, Briones R, Cerecetto H, González M. Theoretical study on 5-nitrofuryl thiosemicarbazone radicals electronic properties Journal of Molecular Structure: Theochem. 770: 125-129. DOI: 10.1016/J.Theochem.2006.05.048 |
0.384 |
|
| 2006 |
Mendizabal F, Olea-Azar C, Briones R. Theoretical study on the electronic spectrum of [M (CN)2]n - n (M=Au(I), Ag(I); n=1-3) complexes Journal of Molecular Structure: Theochem. 764: 187-194. DOI: 10.1016/J.Theochem.2006.03.002 |
0.368 |
|
| 2006 |
David J, Mendizábal F, Arratia-Pérez R. Electronic structure and molecular properties of the octacyanorhenate [Re(CN)8]3− and [Re(CN)8]2− complexes Chemical Physics Letters. 422: 89-94. DOI: 10.1016/J.Cplett.2006.02.052 |
0.362 |
|
| 2006 |
Mendizabal F, Reyes D, Olea-Azar C. Complexes self-associate by hydrogen bonding and metallophilic attraction: Theoretical study International Journal of Quantum Chemistry. 106: 906-912. DOI: 10.1002/Qua.20814 |
0.31 |
|
| 2005 |
Rigol C, Olea-Azar C, Mendizábal F, Otero L, Gambino D, González M, Cerecetto H. Electrochemical and ESR study of 5-nitrofuryl-containing thiosemicarbazones antiprotozoal drugs. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 61: 2933-8. PMID 16165034 DOI: 10.1016/J.Saa.2004.11.003 |
0.343 |
|
| 2005 |
Mendizabal F, Zapata-Torres G, Olea-Azar C. Theoretical study of the interaction d10-s2 between Pt(0) and Tl(I) on the [Pt(PH3)3Tl]+ complex Chemical Physics Letters. 412: 477-481. DOI: 10.1016/J.Cplett.2005.07.012 |
0.376 |
|
| 2005 |
Mendizabal F, Olea-Azar C. Theoretical study of the electronic spectrum of binuclear gold(I) complexes International Journal of Quantum Chemistry. 103: 34-44. DOI: 10.1002/Qua.20477 |
0.438 |
|
| 2004 |
Fernández EJ, López-de-Luzuriaga JM, Monge M, Montiel M, Olmos ME, Pérez J, Laguna A, Mendizabal F, Mohamed AA, Fackler JP. A detailed study of the vapochromic Behavior of [Tl[Au(C6Cl5)2]]n. Inorganic Chemistry. 43: 3573-81. PMID 15180409 DOI: 10.1021/Ic0499446 |
0.321 |
|
| 2004 |
Mendizabal F, Pyykkö P. Aurophilic attraction in binuclear complexes with Au(I) and Au(III). A theoretical study Physical Chemistry Chemical Physics. 6: 900-905. DOI: 10.1039/B313666C |
0.356 |
|
| 2003 |
Fernández EJ, Laguna A, López-De-Luzuriaga JM, Mendizabal F, Monge M, Olmos ME, Pérez J. Theoretical and photoluminescence studies on the d10-s2 AuI-TlI interaction in extended unsupported chains. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 456-65. PMID 12532295 DOI: 10.1002/Chem.200390048 |
0.403 |
|
| 2003 |
Olea-Azar C, Rigol C, Mendizábal F, Briones R, Cerecetto H, Di Maio R, Risso M, González M, Porcal W. Electrochemical and microsomal production of free radicals from 1,2,5-oxadiazole N-oxide as potential antiprotozoal drugs. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 59: 69-74. PMID 12509148 DOI: 10.1016/S1386-1425(02)00141-5 |
0.375 |
|
| 2003 |
Cerón ML, Mendizabal F. Theoretical study of copper-carbonyls interaction in CU(CO)N (N=1-2) complexes Journal of the Chilean Chemical Society. 48: 81-87. DOI: 10.4067/S0717-97072003000400013 |
0.363 |
|
| 2003 |
Mendizábal F, Santa Ana MA, Benavente E, González G. QUANTUM CHEMICAL MODEL FOR LITHIUM ELECTROCHEMICAL INTERCALATION INTO MOLYBDENUM DISULFIDE Journal of the Chilean Chemical Society. 48. DOI: 10.4067/S0717-97072003000400011 |
0.371 |
|
| 2003 |
Mendizabal F, Pyykkö P, Runeberg N. Aurophilic attraction: The additivity and the combination with hydrogen bonds Chemical Physics Letters. 370: 733-740. DOI: 10.1016/S0009-2614(03)00115-5 |
0.313 |
|
| 2003 |
Mendizabal F, Zapata-Torres G, Olea-Azar C. Theoretical study of the d10-d8 interaction between Au(I) and Au(III) on the cis/trans-[PH3Au(I)C(L)=C(L)Au(III)(R) 2PH3] (R=-H, -CH3; L=-H, -CH3) systems Chemical Physics Letters. 382: 92-99. DOI: 10.1016/J.Cplett.2003.09.157 |
0.352 |
|
| 2002 |
Mendizabal F. Phthalocyanoruthenium complexes and polymers with bridged ligands Journal of Molecular Structure: Theochem. 579: 169-179. DOI: 10.1016/S0166-1280(01)00727-8 |
0.342 |
|
| 2002 |
Mendizabal F, Olea-Azar C. Metallomacrocycle (MacM) complex with cyanide as bridged ligand: Electronic structures of [MacMCN]n International Journal of Quantum Chemistry. 87: 89-100. DOI: 10.1002/Qua.1116 |
0.376 |
|
| 2001 |
Olea-Azar C, Mendizábal F, Alarcón J, Briones R, Cassels BK, Delgado-Castro T, Araya-Maturana R. Electron spin resonance studies and theoretical quantum calculations of free radicals generated from anthracenetrione by electrochemical and microsomal reduction. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 57: 1889-95. PMID 11506041 DOI: 10.1016/S1386-1425(01)00450-4 |
0.35 |
|
| 2001 |
Canales S, Crespo O, Gimeno MC, Jones PG, Laguna A, Mendizabal F. Mixed gold(I)-gold(III) complexes with bridging selenido ligands. Theoretical studies of the gold(I)-gold(III) interactions Organometallics. 20: 4812-4818. DOI: 10.1021/Om010474M |
0.335 |
|
| 2001 |
Mendizabal F. Theoretical study of gold-carbonyls interaction in Au(CO)n (n = 1-3) complexes Organometallics. 20: 261-265. DOI: 10.1021/Om000396N |
0.414 |
|
| 2001 |
Mendizabal F, Olea-Azar C, Zapata-Torres G, Eisner F. Metallomacrocycle complex bridged polymers: Electronic structures of-[MacM(L)]n Journal of Molecular Structure: Theochem. 543: 23-37. DOI: 10.1016/S0166-1280(00)00828-9 |
0.354 |
|
| 2001 |
Mendizabal F, Olea-Azar C, Briones R. Phthalocyanoiron complex with bridged ligands. Electronic structure of monomers and polymers International Journal of Quantum Chemistry. 82: 170-181. DOI: 10.1002/Qua.1037 |
0.4 |
|
| 2000 |
Canales S, Crespo O, Gimeno MC, Jones PG, Laguna A, Mendizabal F. Polynuclear Gold Complexes with Bridging Selenido Ligands. Theoretical Studies of Gold−Gold Interactions Organometallics. 19: 4985-4994. DOI: 10.1021/Om000119G |
0.358 |
|
| 1999 |
Mendizabal F. Theoretical study of the Au-ethylene interaction International Journal of Quantum Chemistry. 73: 317-324. DOI: 10.1002/(Sici)1097-461X(1999)73:3<317::Aid-Qua6>3.0.Co;2-P |
0.404 |
|
| 1998 |
Olea-Azar C, Atria AM, Mendizabal F, Di Maio R, Seoane G, Cerecetto H. Cyclic voltammetry and electron paramagnetic resonance studies of some analogues of nifurtimox Spectroscopy Letters. 31: 99-109. DOI: 10.1080/00387019808006764 |
0.362 |
|
| 1998 |
Pyykkö P, Mendizabal F. Theory of d10−d10 Closed-Shell Attraction. III. Rings Inorganic Chemistry. 37: 3018-3025. DOI: 10.1021/Ic980121O |
0.308 |
|
| 1997 |
Mendizábal F, Contreras R, Aizman A. Molecular modelling of lithium intercalation in 1T-TiS2 Journal of Physics Condensed Matter. 9: 3011-3021. DOI: 10.1088/0953-8984/9/14/015 |
0.564 |
|
| 1997 |
Pyykkö P, Mendizabal F. Theory of the d10-d10 closed-shell attraction: 2. Long-distance behaviour and nonadditive effects in dimers and trimers of type [(X-An-L)(n)] (n = 2, 3; X = Cl, I, H; L = PH3, PMe3, -N≡CH) Chemistry - a European Journal. 3: 1458-1465. DOI: 10.1002/Chem.19970030912 |
0.311 |
|
| 1997 |
Pyykkö P, Runeberg N, Mendizabal F. Theory of the d10–d10 Closed‐Shell Attraction: 1. Dimers Near Equilibrium Chemistry: a European Journal. 3: 1451-1457. DOI: 10.1002/Chem.19970030911 |
0.348 |
|
| 1995 |
Mendizabal F, Contreras R, Aizman A. The electronic chemical potential as a basis for a cluster model approximation for intercalation of Li in 1T - TiS2 Journal of Molecular Structure: Theochem. 335: 161-166. DOI: 10.1016/0166-1280(94)03996-X |
0.576 |
|
| 1995 |
Mendizabal F, Contreras R, Aizman A. A model for the charge capacity of 1T-TiS2 intercalated with Li International Journal of Quantum Chemistry. 56: 819-823. DOI: 10.1002/Qua.560560618 |
0.519 |
|
| 1994 |
Contreras RR, Mendizabal F, Aizman AJ. Energy-density relationships for the treatment of ion solvation within density-functional theory. Physical Review. A. 49: 3439-3444. PMID 9910641 DOI: 10.1103/Physreva.49.3439 |
0.501 |
|
| 1992 |
Contreras RR, Mendizabal F, Aizman A. Modeling the interaction of a neutral polymer with small ions in solution. A theoretical study of ion binding to a neutral polymer Molecular Engineering. 2: 287-295. DOI: 10.1007/Bf00999531 |
0.302 |
|
| 1992 |
Mendizabal F, Contreras RR, Aizman AJ. Introduction of external field effects in the frontier molecular orbital theory of chemical reactivity International Journal of Quantum Chemistry. 44: 751-760. DOI: 10.1002/Qua.560440866 |
0.326 |
|
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